| CAS Number | 884048-58-2 |
| Catalog Number | AG019VL5(AGN-PC-0WORGF) |
| Chemical Name | 2-[(5-Bromothiophen-2-yl)formamido]acetic acid |
| IUPAC Name | 2-[(5-bromothiophene-2-carbonyl)amino]acetic acid |
| InChI | InChI=1S/C7H6BrNO3S/c8-5-2-1-4(13-5)7(12)9-3-6(10)11/h1-2H,3H2,(H,9,12)(H,10,11) |
| InChI Key | JIQDHNPTTUFNOP-UHFFFAOYSA-N |
| MDL Number | MFCD09815406 |
| Molecular Formula | C7H6BrNO3S |
| Molecular Weight | 264.0964 |
| SMILES | OC(CNC(C1SC(Br)=CC=1)=O)=O |
| Synonyms | 2-[(5-bromothiophen-2-yl)formamido]acetic acid,
884048-58-2,
AC1Q75Y3,
SCHEMBL14986443,
CTK7J5216,
ZINC19281394,
AKOS000156047,
MCULE-7915708969,
NE27546,
EN300-45566,
AB01006931-01,
Z85887069,
|
| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.925g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.093g/mol |
| Monoisotopic Mass | 262.925g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 94.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number